MassBank Record: KO001342



 Methylmalonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001342
RECORD_TITLE: Methylmalonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M014

CH$NAME: Methylmalonate CH$NAME: Methylmalonic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H6O4 CH$EXACT_MASS: 118.02661 CH$SMILES: OC(=O)C(C)C(O)=O CH$IUPAC: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) CH$LINK: CAS 516-05-2 CH$LINK: CHEBI 30860 CH$LINK: CHEMPDB DXX CH$LINK: KEGG C02170 CH$LINK: NIKKAJI J6.302I CH$LINK: PUBCHEM SID:5245
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 117 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-5c4795e954d5c3e9b74e PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 55.100 599010.5 999 //